Geometry & MOs

Info

ID:

215736

PubChem CID:

85085167

Reduced:

N15O19C58H91 (1)

Stoich.:

A15B19C58D91 (1)

Weight, g/mol:

1305.711493

ΔHf, kcal/mol:

-915.2

Dipole, Da:

17.45

IP(EA), eV:

 -9.59(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[2-[[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]acetyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)N2CCCC2C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations